3-[5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynoxy]propanenitrile

Systemtic Name: 3-[5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynoxy]propanenitrile Openeye Name: 3-[5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynoxy]propanenitrile CAS Name: 3-[5-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]pent-3-ynoxy]propanenitrile IUPAC Name: 3-[5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-ynoxy]propanenitrile Traditional Name: 3-[5-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-ynoxy]propionitrile Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CCCOCCC#N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC#CCCOCCC#N

InChI

InChI=1S/C18H23N3O/c19-10-7-15-22-14-5-1-3-12-21-13-4-2-9-18(21)17-8-6-11-20-16-17/h6,8,11,16,18H,2,4-5,7,9,12-15H2/p+1/t18-/m0/s1